CID 86529

Dtxsid80938170

Structural Information

Molecular Formula
C19H22O2
SMILES
CC12CCC3C(C1CCC2=O)C=CC4=C3C=CC(=C4)OC
InChI
InChI=1S/C19H22O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h3-6,11,15-17H,7-10H2,1-2H3
InChIKey
SIXKLAYWNMHDIQ-UHFFFAOYSA-N
Compound name
3-methoxy-13-methyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-17-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.162 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.16928 167.0
[M+Na]+ 305.15122 174.8
[M-H]- 281.15472 172.6
[M+NH4]+ 300.19582 189.9
[M+K]+ 321.12516 169.3
[M+H-H2O]+ 265.15926 160.2
[M+HCOO]- 327.16020 182.8
[M+CH3COO]- 341.17585 178.4
[M+Na-2H]- 303.13667 170.1
[M]+ 282.16145 165.2
[M]- 282.16255 165.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.